2-[4-[2-(1-adamantyl)ethanoyl]piperazin-1-yl]-6-fluoranyl-benzenecarbonitrile

Systemtic Name: 2-[4-[2-(1-adamantyl)ethanoyl]piperazin-1-yl]-6-fluoranyl-benzenecarbonitrile Openeye Name: 2-[4-[2-(1-adamantyl)acetyl]piperazin-1-yl]-6-fluoro-benzonitrile CAS Name: 2-[4-[2-(1-adamantyl)-1-oxoethyl]-1-piperazinyl]-6-fluorobenzonitrile IUPAC Name: 2-[4-[2-(1-adamantyl)acetyl]piperazin-1-yl]-6-fluorobenzonitrile Traditional Name: 2-[4-[2-(1-adamantyl)acetyl]piperazino]-6-fluoro-benzonitrile Formula: C23H28FN3O MolecularWeight: 381.486323

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=CC=C2)F)C#N)C(=O)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CN(CCN1C2=C(C(=CC=C2)F)C#N)C(=O)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H28FN3O/c24-20-2-1-3-21(19(20)15-25)26-4-6-27(7-5-26)22(28)14-23-11-16-8-17(12-23)10-18(9-16)13-23/h1-3,16-18H,4-14H2